1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene

C15H12N2 — CID 87135639

IUPAC1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene
SMILESC1=CC2=CC3=CC=CC4=CN=CN(C2C=C1)C34
InChIInChI=1S/C15H12N2/c1-2-7-14-11(4-1)8-12-5-3-6-13-9-16-10-17(14)15(12)13/h1-10,14-15H
InChIKeyVKYUQQZLJHTRCI-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.51
Rot. Bonds

About 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene

1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene (PubChem CID 87135639) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene.

Molecular Properties

Compound Name1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene
PubChem CID87135639
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene
SMILESC1=CC2=CC3=CC=CC4=CN=CN(C2C=C1)C34
InChIInChI=1S/C15H12N2/c1-2-7-14-11(4-1)8-12-5-3-6-13-9-16-10-17(14)15(12)13/h1-10,14-15H
InChIKeyVKYUQQZLJHTRCI-UHFFFAOYSA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene?
The IUPAC name of 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene (CID 87135639) is 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene.
What is the SMILES notation for 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene?
The canonical SMILES for 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene is C1=CC2=CC3=CC=CC4=CN=CN(C2C=C1)C34.
What is the InChIKey of 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene?
The InChIKey is VKYUQQZLJHTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-7-14-11(4-1)8-12-5-3-6-13-9-16-10-17(14)15(12)13/h1-10,14-15H.
What are the key properties of 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene?
1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene has a molecular weight of 220.28 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,5,7,9,11,13,15-heptaene is sourced from PubChem (CID 87135639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).